1-N,4-N-bis[(Z)-1,3-benzodioxol-5-ylmethylideneamino]phthalazine-1,4-diamine

Formula:C24H18N6O4 Mutagenic:none Tumorigenic:high Reproductive Effective:high 1-N,4-N-bis[(Z)-1,3-benzodioxol-5-ylmethylideneamino]phthalazine-1,4-diamine is not a drug-like molecule.

MolName	1-N,4-N-bis[(Z)-1,3-benzodioxol-5-ylmethylideneamino]phthalazine-1,4-diamine
MolecularFormula	C24H18N6O4
Smiles	C1Oc(cc(/C=N\Nc(c2ccccc22)nnc2N/N=C\c(cc2)cc3c2OCO3)cc2)c2O1
InChI	InChI=1S/C24H18N6O4/c1-2-4-18-17(3-1)23(27-25-11-15-5-7-19-21(9-15)33-13-31-19)29-30-24(18)28-26-12-16-6-8-20-22(10-16)34-14-32-20/h1-12H,13-14H2,(H,27,29)(H,28,30)
InChIK	BPNMIZMKXIHORY-UHFFFAOYSA-N
TotalMolweight	454.445
Molweight	454.445
MonoisotopicMass	454.138954
CLogP	8.3124
CLogS	-7.514
H Acceptors	10
H Donors	2
TotalSurfaceArea	337.86
Relative PSA	0.3193
PolarSurfaceArea	111.48
Druglikeness	1.9109
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.58824
Fragments	1
Non HAtoms	34
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	6
Symmetricatoms	17
Aromatic Nitrogens	2
StereoCon

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